Andrius Bernatavicius

According to our database, Andrius Bernatavicius authored at least 6 papers between 2023 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design.

Alan Kai Hassen, Martin Sícho, Yorick J. van Aalst, Mirjam C. W. Huizenga, Darcy N. R. Reynolds, Sohvi Luukkonen, Andrius Bernatavicius, Djork-Arné Clevert, Antonius P. A. Janssen, Gerard J. P. van Westen, Mike Preuss

J. Cheminformatics, December, 2025

2024

QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool.

Helle W. van den Maagdenberg, Martin Sícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet H. Van Der Graaf, Gerard J. P. van Westen

J. Cheminformatics, December, 2024

PMIpred: a physics-informed web server for quantitative protein-membrane interaction prediction.

Niek van Hilten, Nino Verwei, Jeroen Methorst, Carsten Nase, Andrius Bernatavicius, Herre Jelger Risselada

Bioinform., February, 2024

Docking-Informed Machine Learning for Kinome-wide Affinity Prediction.

Jordy Schifferstein, Andrius Bernatavicius, Antonius P. A. Janssen

J. Chem. Inf. Model., 2024

AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models.

Andrius Bernatavicius, Martin Sícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuss, Gerard J. P. van Westen

J. Chem. Inf. Model., 2024

2023

EduGym: An Environment Suite for Reinforcement Learning Education.

Thomas M. Moerland, Matthias Müller-Brockhausen, Zhao Yang, Andrius Bernatavicius, Koen Ponse, Tom Kouwenhoven, Andreas Sauter, Michiel van der Meer, Bram M. Renting, Aske Plaat

CoRR, 2023